Information card for entry 7024349

Structure parameters

• Common name: Amide-cyanoxime, HACO
• Chemical name: 2-Cyan-2-isonitrosoacetamide
• Formula: C3 H3 N3 O2
• Calculated formula: C3 H3 N3 O2
• SMILES: C(=N\O)(C#N)/C(=O)N
• Title of publication: 2-Cyano-2-isonitrosoacetamide and its Ag(I) complexes. Silver(I) cyanoximate as a non-electric gas sensor.
• Authors of publication: Gerasimchuk, Nikolay; Esaulenko, Andrey N.; Dalley, Kent N.; Moore, Curtis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 749 - 764
• a: 7.001 ± 0.0017 Å
• b: 6.3458 ± 0.0016 Å
• c: 21.804 ± 0.006 Å
• α: 90°
• β: 99.119 ± 0.017°
• γ: 90°
• Cell volume: 956.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No